N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide

C20H21N3O3S — CID 23075876

IUPACN-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCCc1ccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-16-6-8-17(9-7-16)14-26-20-19(21-12-13-22-20)23-27(24,25)18-10-4-15(2)5-11-18/h4-13H,3,14H2,1-2H3,(H,21,23)
InChIKeyBBGRKYRGEIXIHI-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.73
Rot. Bonds7

About N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide

N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23075876) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23075876
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCCc1ccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-16-6-8-17(9-7-16)14-26-20-19(21-12-13-22-20)23-27(24,25)18-10-4-15(2)5-11-18/h4-13H,3,14H2,1-2H3,(H,21,23)
InChIKeyBBGRKYRGEIXIHI-UHFFFAOYSA-N
XLogP3.73
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075822
4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075898
4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076143
4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075878
3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260100
N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075847
N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 2728379
4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide
CID 84563209
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23075876) is N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide is CCc1ccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is BBGRKYRGEIXIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-16-6-8-17(9-7-16)14-26-20-19(21-12-13-22-20)23-27(24,25)18-10-4-15(2)5-11-18/h4-13H,3,14H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23075876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).